SCHEMBL10108264

SCHEMBL10108264

Bc1cccc(Nc2ncnc3ccc(N)cc23)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.72
ERBB2 P04626 3/20 0.71
AHR P35869 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14310714 0.89 EGFR (0.72) EGFRERBB2AHR
SCHEMBL30513 0.84 EGFR (1.00) EGFRERBB2AHR
SCHEMBL29690398 0.84 EGFR (1.00) EGFRERBB2AHR
SCHEMBL159209 0.83 EGFR (1.00) EGFRERBB2
SCHEMBL1262804 0.83 EGFR (1.00) EGFRERBB2
SCHEMBL29350058 0.83 EGFR (1.00) EGFRERBB2
SCHEMBL31060510 0.83 EGFR (1.00) EGFRERBB2
SCHEMBL14578431 0.83 EGFR (0.72) EGFRERBB2AHR
SCHEMBL4586872 0.83 EGFR (0.80) EGFRERBB2AHR
SCHEMBL31060998 0.83 EGFR (1.00) EGFRERBB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
US-7879861-B2 4-N-(3-bromophenyl)-6-N-(2-chloroethyl)quinazoline-4,6-diamine, capable of both inhibiting epidermal growth factor receptors and damaging DNA; antitumor and antiproliferative agents MCGILL UNIVERSITY (CA) 2011-02-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K EGFR 48/4885ERBB2 7/4885AHR 509/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.